CID 84807400

Tert-butyl 4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylate

Structural Information

Molecular Formula
C12H22F2N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)(F)F)CCN
InChI
InChI=1S/C12H22F2N2O2/c1-11(2,3)18-10(17)16-7-5-9(4-6-15)12(13,14)8-16/h9H,4-8,15H2,1-3H3
InChIKey
UQNNOMOYAFZTDY-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

264.16495 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17223 161.1
[M+Na]+ 287.15417 166.8
[M-H]- 263.15767 159.7
[M+NH4]+ 282.19877 178.2
[M+K]+ 303.12811 165.3
[M+H-H2O]+ 247.16221 153.9
[M+HCOO]- 309.16315 175.4
[M+CH3COO]- 323.17880 198.1
[M+Na-2H]- 285.13962 162.4
[M]+ 264.16440 156.1
[M]- 264.16550 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe